CID 6432977

86218-08-8

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1CN(C(=O)N1)CCNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C9H13N3O4/c13-7(1-2-8(14)15)10-3-5-12-6-4-11-9(12)16/h1-2H,3-6H2,(H,10,13)(H,11,16)(H,14,15)/b2-1-
InChIKey
FROXAXDNCMRIDL-UPHRSURJSA-N
Compound name
(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0906 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.097876 150.6
[M+Na]+ 250.079818 155.3
[M-H]- 226.083324 148.2
[M+NH4]+ 245.124423 165.5
[M+K]+ 266.053758 152.8
[M+H-H2O]+ 210.087860 143.3
[M+HCOO]- 272.088801 168.0
[M+CH3COO]- 286.104451 184.0
[M+Na-2H]- 248.065266 150.9
[M]+ 227.09005142 146.6
[M]- 227.09114858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.